ELECTRONIC-STRUCTURE OF HFC, TAC AND UC

被引：62

作者：

WEINBERGER, P

PODLOUCKY, R

MALLETT, CP

NECKEL, A

机构：

[1] Institut fur Technische Elektrochemie, Technische Universitat Wien, A-1060 Wien

来源：

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS | 1979年 / 12卷 / 05期

关键词：

D O I：

10.1088/0022-3719/12/5/011

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Quasi-self-consistent energy band structures are reported for HfC, TaC, and UC using the relativistic KKR method. The mechanism of chemical bonding for the compounds under investigation is discussed on the basis of kappa -like partial charges for one-electron states and kappa -like total valence charges.

引用

页码：801 / 817

页数：17

共 15 条

[1] BAND-STRUCTURE OF TRANSITION-METAL COMPOUNDS [J].

CALAIS, JL .

ADVANCES IN PHYSICS, 1977, 26 (06) :847-885

[2] ENERGY BANDS IN PERIODIC LATTICES - GREENS FUNCTION METHOD [J].

HAM, FS ;

SEGALL, B .

PHYSICAL REVIEW, 1961, 124 (06) :1786-&

[3]

JANSEN LAURENS, 1967, THEORY FINITE GROUPS

[4] RESULTS OF SELF-CONSISTENT BAND-STRUCTURE CALCULATIONS FOR SCN, SCO, TIC, TIN, TIO, VC, VN AND VO [J].

NECKEL, A ;

RASTL, P ;

EIBLER, R ;

WEINBERGER, P ;

SCHWARZ, K .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1976, 9 (04) :579-592

[5]

ONEDERA Y, 1966, J PHYS SOC JAPAN, V21, P2400

[6]

ONEDERA Y, 1966, J PHYS SOC JAPAN, V21, P1273

[7] ELECTRONIC-STRUCTURE OF NBC AND NBN [J].

SCHWARZ, K .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1977, 10 (02) :195-210

[8] OPTIMIZATION OF STATISTICAL EXCHANGE PARAMETER-ALPHA FOR FREE ATOMS H THROUGH NB [J].

SCHWARZ, K .

PHYSICAL REVIEW B-SOLID STATE, 1972, 5 (07) :2466-&

[9]

SCHWARZ K, J PHYS C

[10]

Sevier K D, 1972, LOW ENERGY ELECTRON

← 1 2 →